4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one

C9H17N3O — CID 61465092

IUPAC4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCN1CCC(N2CC(N)CC2=O)C1
InChIInChI=1S/C9H17N3O/c1-11-3-2-8(6-11)12-5-7(10)4-9(12)13/h7-8H,2-6,10H2,1H3
InChIKeyWGWTUZAOERAIMO-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.75
Rot. Bonds1

About 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one

4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one (PubChem CID 61465092) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
PubChem CID61465092
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCN1CCC(N2CC(N)CC2=O)C1
InChIInChI=1S/C9H17N3O/c1-11-3-2-8(6-11)12-5-7(10)4-9(12)13/h7-8H,2-6,10H2,1H3
InChIKeyWGWTUZAOERAIMO-UHFFFAOYSA-N
XLogP-0.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one (CID 61465092) is 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one is CN1CCC(N2CC(N)CC2=O)C1.
What is the InChIKey of 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
The InChIKey is WGWTUZAOERAIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-3-2-8(6-11)12-5-7(10)4-9(12)13/h7-8H,2-6,10H2,1H3.
What are the key properties of 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 61465092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).